N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide

C17H28N2O — CID 47007668

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
SMILESCN(C)C(CNC(=O)CC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)12-16(20)18-13-15(19(4)5)11-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3,(H,18,20)
InChIKeyGMLMSUJDQUSFTL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide

N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide (PubChem CID 47007668) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
PubChem CID47007668
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
SMILESCN(C)C(CNC(=O)CC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)12-16(20)18-13-15(19(4)5)11-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3,(H,18,20)
InChIKeyGMLMSUJDQUSFTL-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
N-[2-(dimethylamino)-3-phenylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175658
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
CID 167893298
N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methoxyphenyl)propanamide
CID 51186444
N-[2-(dimethylamino)-3-phenylpropyl]-2-(4-fluorophenoxy)acetamide
CID 51305430
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55787160
N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide
CID 24639990
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide
CID 8794949
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51186432
3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]butanamide
CID 110404076
1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea
CID 8678665

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide (CID 47007668) is N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide is CN(C)C(CNC(=O)CC(C)(C)C)Cc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide?
The InChIKey is GMLMSUJDQUSFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)12-16(20)18-13-15(19(4)5)11-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide?
N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide has a molecular weight of 276.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 47007668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).